[(2S,4S)-4-hexyl-5-oxidanylidene-oxolan-2-yl]methyl carbamimidothioate

Systemtic Name: [(2S,4S)-4-hexyl-5-oxidanylidene-oxolan-2-yl]methyl carbamimidothioate Openeye Name: 2-[[(2S,4S)-4-hexyl-5-oxo-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [(2S,4S)-4-hexyl-5-oxo-2-oxolanyl]methyl ester IUPAC Name: [(2S,4S)-4-hexyl-5-oxooxolan-2-yl]methyl carbamimidothioate Traditional Name: 2-[[(2S,4S)-4-hexyl-5-keto-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C12H22N2O2S MolecularWeight: 258.38028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC1=O)CSC(=N)N

Isomeric SMILES

CCCCCC[C@H]1C[C@H](OC1=O)CSC(=N)N

InChI

InChI=1S/C12H22N2O2S/c1-2-3-4-5-6-9-7-10(16-11(9)15)8-17-12(13)14/h9-10H,2-8H2,1H3,(H3,13,14)/t9-,10-/m0/s1